| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SOLEIL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | PROXIMA 2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-09-18 |
Detector _diffrn_detector.type | ADSC QUANTUM 315r |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9801 |
| Software | |
Data scaling _software.classification | Aimless (0.5.15) |
Phasing _software.classification | PHASER (2.5.7) |
Refinement _software.classification | REFMAC (5.8.0135) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 125.972 75.140 141.098 90.00 100.08 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.98010 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 85.390 | 85.390 | 3.070 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.890 | 8.680 | 2.890 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.170 | 0.126 | 0.558 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.204 | - | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.111 | - | - |
Total number of observations _reflns.pdbx_number_measured_all | 88990 | - | - |
Total number unique _reflns.number_obs | 28671 | - | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 5.60 | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 98.1 | 97.7 | 94.1 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.1 | 3.2 | 3.0 |
CC(1/2) _reflns.pdbx_CC_half | 0.964 | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5L9E |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2016-06-10 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 85.4 - 2.900 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2424 / 0.2731 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 3KS3 |